Chemical ID: 6708291

c1ccc(c(c1)C[NH+]2CCN(CC2)C(=O)c3cccc(c3)Cl)F
Chemical ID:
6708291
Name [?]:
(3-chlorophenyl)-[4-[(2-fluorophenyl)methyl]-2,3,5,6-tetrahydropyrazin-1-yl]-methanone
SMILES [?]:
c1ccc(c(c1)C[NH+]2CCN(CC2)C(=O)c3cccc(c3)Cl)F
InChi [?]:
InChI=1/C18H18ClFN2O/c19-16-6-3-5-14(12-16)18(23)22-10-8-21(9-11-22)13-15-4-1-2-7-17(15)20/h1-7,12H,8-11,13H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,18,6,17,19,3,9,13,10,12,21,7,16,5,20,4,14,22,23,8,11,15/E:(8,9)(10,11)/rA:23nCCCCCCCN+CCNCCCOCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;d17;s18;d19;d16s20;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19ClFN2O+
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-19.2997
Area:523.679
Solvation:-32.3917
Coulombic:7.73242
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:333.807
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.71
LogP (Chemaxon):3.43

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